2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol

C16H14N2O2 — CID 3750129

IUPAC2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)14-10-15(18-17-14)13-4-2-3-5-16(13)19/h2-10,19H,1H3,(H,17,18)
InChIKeyAASRUAOBYASXDX-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.46
Rot. Bonds3

About 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol

2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 3750129) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID3750129
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)14-10-15(18-17-14)13-4-2-3-5-16(13)19/h2-10,19H,1H3,(H,17,18)
InChIKeyAASRUAOBYASXDX-UHFFFAOYSA-N
XLogP3.46
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol (CID 3750129) is 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol is COc1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is AASRUAOBYASXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)14-10-15(18-17-14)13-4-2-3-5-16(13)19/h2-10,19H,1H3,(H,17,18).
What are the key properties of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 266.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 3750129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).